(2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride

C12H25ClN2O — CID 120624137

IUPAC(2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
SMILESCCC(C)N(C)C(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-5-10(3)14(4)12(15)11-6-7-13-9(2)8-11;/h9-11,13H,5-8H2,1-4H3;1H/t9-,10?,11-;/m0./s1
InChIKeyXCWHIKJPQZGPFS-NJXUKAHLSA-N
MW248.80 g/mol
LogP2.05
Rot. Bonds3

About (2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120624137) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is (2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
PubChem CID120624137
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name(2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
SMILESCCC(C)N(C)C(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-5-10(3)14(4)12(15)11-6-7-13-9(2)8-11;/h9-11,13H,5-8H2,1-4H3;1H/t9-,10?,11-;/m0./s1
InChIKeyXCWHIKJPQZGPFS-NJXUKAHLSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-methoxypropan-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 106739418
N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 106739333
2-methyl-N-propan-2-yl-N-propylpiperidine-4-carboxamide
CID 106738743
(2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120621637
(2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide
CID 120616325
(2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120623080
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide
CID 106832156
N-butan-2-yl-N-methylcyclohexanecarboxamide
CID 153425265
(2S,4S)-N-(cyclopentylmethyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120628237
(2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120639366
(2S,4S)-N-cyclopropyl-2-methyl-N-propylpiperidine-4-carboxamide
CID 120635725
(2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120621643

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride (CID 120624137) is (2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride is CCC(C)N(C)C(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is XCWHIKJPQZGPFS-NJXUKAHLSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-5-10(3)14(4)12(15)11-6-7-13-9(2)8-11;/h9-11,13H,5-8H2,1-4H3;1H/t9-,10?,11-;/m0./s1.
What are the key properties of (2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120624137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).